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GPCR

NameLeukotriene B4 receptor 1
SpeciesHomo sapiens (Human)
GeneLTB4R
SynonymBLT1 receptor
BLTR
Chemoattractant receptor-like 1
G-protein coupled receptor 16
GPR16
[ Show all ]
DiseaseInflammatory disease
Inflammatory bowel disease
Human immunodeficiency virus infection
Pancreatic cancer
Psoriasis
[ Show all ]
Length352
Amino acid sequenceMNTTSSAAPPSLGVEFISLLAIILLSVALAVGLPGNSFVVWSILKRMQKRSVTALMVLNLALADLAVLLTAPFFLHFLAQGTWSFGLAGCRLCHYVCGVSMYASVLLITAMSLDRSLAVARPFVSQKLRTKAMARRVLAGIWVLSFLLATPVLAYRTVVPWKTNMSLCFPRYPSEGHRAFHLIFEAVTGFLLPFLAVVASYSDIGRRLQARRFRRSRRTGRLVVLIILTFAAFWLPYHVVNLAEAGRALAGQAAGLGLVGKRLSLARNVLIALAFLSSSVNPVLYACAGGGLLRSAGVGFVAKLLEGTGSEASSTRRGGSLGQTARSGPAALEPGPSESLTASSPLKLNELN
UniProtQ15722
Protein Data BankN/A
GPCR-HGmod modelQ15722
3D structure modelThis predicted structure model is from GPCR-EXP Q15722.
BioLiPN/A
Therapeutic Target DatabaseT59626
ChEMBLCHEMBL3911
IUPHAR267
DrugBankBE0003490

Ligand

NameCHEMBL15295
Molecular formulaC26H34O7
IUPAC name2-[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]butanoic acid
Molecular weight458.551
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50281876
SCHEMBL8583488
2-{3-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]-2-propyl-phenoxy}-butyric acid
Inchi KeyDKTWJFBNXZNLCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34O7/c1-5-10-19-23(11-8-12-24(19)33-22(7-3)26(29)30)31-13-9-14-32-25-16-21(28)20(17(4)27)15-18(25)6-2/h8,11-12,15-16,22,28H,5-7,9-10,13-14H2,1-4H3,(H,29,30)
PubChem CID15839733
ChEMBLCHEMBL15295
IUPHARN/A
BindingDB50281876
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5036.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:6:1147BindingDB,ChEMBL
Kb85.8 nMBioorg. Med. Chem. Lett., (1993) 3:6:1147ChEMBL
Ki15.5 nMBioorg. Med. Chem. Lett., (1993) 3:6:1147ChEMBL
Ki16.0 nMN/ABindingDB

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